2,2,4-trimethyl-7-propan-2-yloxy-3,4-dihydro-1H-quinoline

C15H23NO — CID 71367324

IUPAC2,2,4-trimethyl-7-propan-2-yloxy-3,4-dihydro-1H-quinoline
SMILESCC(C)Oc1ccc2c(c1)NC(C)(C)CC2C
InChIInChI=1S/C15H23NO/c1-10(2)17-12-6-7-13-11(3)9-15(4,5)16-14(13)8-12/h6-8,10-11,16H,9H2,1-5H3
InChIKeyKNTVHFUMKKUIJF-UHFFFAOYSA-N
MW233.35 g/mol
LogP4.17
Rot. Bonds2

About 2,2,4-trimethyl-7-propan-2-yloxy-3,4-dihydro-1H-quinoline

2,2,4-trimethyl-7-propan-2-yloxy-3,4-dihydro-1H-quinoline (PubChem CID 71367324) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 2,2,4-trimethyl-7-propan-2-yloxy-3,4-dihydro-1H-quinoline.

Molecular Properties

Compound Name2,2,4-trimethyl-7-propan-2-yloxy-3,4-dihydro-1H-quinoline
PubChem CID71367324
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name2,2,4-trimethyl-7-propan-2-yloxy-3,4-dihydro-1H-quinoline
SMILESCC(C)Oc1ccc2c(c1)NC(C)(C)CC2C
InChIInChI=1S/C15H23NO/c1-10(2)17-12-6-7-13-11(3)9-15(4,5)16-14(13)8-12/h6-8,10-11,16H,9H2,1-5H3
InChIKeyKNTVHFUMKKUIJF-UHFFFAOYSA-N
XLogP4.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2,4-trimethyl-7-propan-2-yloxy-3,4-dihydro-1H-quinoline with MolForge

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Launch Full Analysis

Related Compounds

(4R)-7-fluoro-2,2,4-trimethyl-3,4-dihydro-1H-quinoline
CID 97297931
4-methyl-1-propan-2-yl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline
CID 64687395
2,2,4,7-tetramethyl-3,4-dihydro-1H-quinolin-6-ol
CID 59639100
1-tert-butyl-4-methyl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline
CID 64687801
(4S)-6-ethyl-2,2,4-trimethyl-3,4-dihydro-1H-quinoline
CID 7823786
4,4-dimethyl-2-(3-propan-2-yloxyphenyl)-1,3-thiazolidine
CID 66230382
2,2,4-trimethyl-3,4-dihydro-1H-quinoline-6-carbaldehyde
CID 18937828
(4S)-4-bromo-1,1-dimethyl-6-propan-2-yloxy-3,4-dihydroisochromene
CID 129391946
2,2,6,6-tetramethyl-N-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine
CID 119114791
3-ethyl-4-methyl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline
CID 64687588
2-methylidene-5-propan-2-yloxy-1,3-dihydroindole
CID 89252566
(E)-3-(dimethylamino)-1-[(4R)-2,2,4,7-tetramethyl-3,4-dihydro-1H-quinolin-6-yl]prop-2-en-1-one
CID 125461524

Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-7-propan-2-yloxy-3,4-dihydro-1H-quinoline?
The IUPAC name of 2,2,4-trimethyl-7-propan-2-yloxy-3,4-dihydro-1H-quinoline (CID 71367324) is 2,2,4-trimethyl-7-propan-2-yloxy-3,4-dihydro-1H-quinoline.
What is the SMILES notation for 2,2,4-trimethyl-7-propan-2-yloxy-3,4-dihydro-1H-quinoline?
The canonical SMILES for 2,2,4-trimethyl-7-propan-2-yloxy-3,4-dihydro-1H-quinoline is CC(C)Oc1ccc2c(c1)NC(C)(C)CC2C.
What is the InChIKey of 2,2,4-trimethyl-7-propan-2-yloxy-3,4-dihydro-1H-quinoline?
The InChIKey is KNTVHFUMKKUIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-10(2)17-12-6-7-13-11(3)9-15(4,5)16-14(13)8-12/h6-8,10-11,16H,9H2,1-5H3.
What are the key properties of 2,2,4-trimethyl-7-propan-2-yloxy-3,4-dihydro-1H-quinoline?
2,2,4-trimethyl-7-propan-2-yloxy-3,4-dihydro-1H-quinoline has a molecular weight of 233.35 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-7-propan-2-yloxy-3,4-dihydro-1H-quinoline is sourced from PubChem (CID 71367324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).